Geometry & MOs

Info

ID:	355906
PubChem CID:	127290758
Reduced:	SO3N5C16H27 (1)
Stoich.:	AB3C5D16E27 (1)
Weight, g/mol:	350.174276
ΔH_f, kcal/mol:	-85.87
Dipole, Da:	8.12
IP(EA), eV:	-9.11(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-hydroxynaphthalen-2-yl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CN2CCN(CC2)C(=O)CN(C)C3CCS(=O)(=O)C3

DOS

IR

Vibrations